Abstract
Within an extra-orbital tight-binding approach for the electronic structure and a Born-Mayer term for the repulsion, we study the stable position of transition metal atoms on graphite. The hopping integrals between the adatom and the graphite atom are obtained through atomistic calculations. The energy levels are chosen so as to satisfy Friedel's screening rule and give rise to the occurrence of high peaks in the density of states at the Fermi energy. The Hartree-Fock approximation has been used for the determination of the corresponding spin-polarized electronic structure. Recent photoemission experiments on vanadium clusters adsorbed on graphite displayed satellite peaks in core level XPS spectra which have been tentatively related to a possible onset of magnetism. This interpretation is discussed and compared with a usual satellite peak effect due to a core hole potential within an impurity Anderson model.
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